6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid

C19H14F2N2O4 — CID 18073443

IUPAC6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C19H14F2N2O4/c1-10(24)22-12-4-7-16-14(8-12)15(18(25)26)9-17(23-16)11-2-5-13(6-3-11)27-19(20)21/h2-9,19H,1H3,(H,22,24)(H,25,26)
InChIKeyRTKONTIPEXDMIE-UHFFFAOYSA-N
MW372.33 g/mol
LogP4.16
Rot. Bonds5

About 6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid

6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid (PubChem CID 18073443) has the molecular formula C19H14F2N2O4 and a molecular weight of 372.33 g/mol. Its IUPAC name is 6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
PubChem CID18073443
Molecular FormulaC19H14F2N2O4
Molecular Weight372.33 g/mol
Exact Mass372.09
IUPAC Name6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C19H14F2N2O4/c1-10(24)22-12-4-7-16-14(8-12)15(18(25)26)9-17(23-16)11-2-5-13(6-3-11)27-19(20)21/h2-9,19H,1H3,(H,22,24)(H,25,26)
InChIKeyRTKONTIPEXDMIE-UHFFFAOYSA-N
XLogP4.16
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073616
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 18073446
7-[4-(difluoromethoxy)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073475
N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
CID 2318784
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylate
CID 4003521
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073448
7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 18073631
6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid
CID 153380344
N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 55552057
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid (CID 18073443) is 6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid is CC(=O)Nc1ccc2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid?
The InChIKey is RTKONTIPEXDMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O4/c1-10(24)22-12-4-7-16-14(8-12)15(18(25)26)9-17(23-16)11-2-5-13(6-3-11)27-19(20)21/h2-9,19H,1H3,(H,22,24)(H,25,26).
What are the key properties of 6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid?
6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid has a molecular weight of 372.33 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 18073443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).